data_53524 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53524 _Entry.Title ; Backbone assignment of TPPP/P25a core domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-02-05 _Entry.Accession_date 2026-02-05 _Entry.Last_release_date 2026-02-06 _Entry.Original_release_date 2026-02-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Shuyi Zeng . . . . 53524 2 Wencheng Xia . . . . 53524 3 Shengnan Zhang . . . . 53524 4 Shiran Lv . . . . 53524 5 Yunpeng Sun . . . . 53524 6 Cheng'an Huang . . . . 53524 7 Jinxia Lu . . . . 53524 8 Youqi Tao . . . . 53524 9 Yaoyang Zhang . . . . 53524 10 Bo Sun . . . . 53524 11 Weidong Le . . . . 53524 12 Cong Liu . . . . 53524 13 Dan Li . . . . 53524 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53524 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 53524 '15N chemical shifts' 107 53524 '1H chemical shifts' 107 53524 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-05-21 . original BMRB . 53524 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53525 'Backbone assignment of TPPP/P25a full length' 53524 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53524 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; TPPP/p25 amyloid seeding activity in cerebrospinal fluid as a specific diagnostic biomarker for multiple system atrophy ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shuyi Zeng . . . . 53524 1 2 Shenqing Zhang . . . . 53524 1 3 Shengnan Zhang . . . . 53524 1 4 Yun Fan . . . . 53524 1 5 Wencheng Xia . . . . 53524 1 6 Feiyang Chen . . . . 53524 1 7 Cheng'an Huang . . . . 53524 1 8 Shiran Lv . . . . 53524 1 9 Jinxia Lu . . . . 53524 1 10 Yunpeng Sun . . . . 53524 1 11 Kai'en Liu . . . . 53524 1 12 Yunxia Li . . . . 53524 1 13 Yaoyang Zhang . . . . 53524 1 14 Jian Wang . . . . 53524 1 15 Cong Liu . . . . 53524 1 16 Dan Li . . . . 53524 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53524 _Assembly.ID 1 _Assembly.Name 'TPPP/P25a core domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TPPP/P25a core domain' 1 $entity_1 . . yes native no no . . . 53524 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53524 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADKAKPAKAANRTPPKSPG DPSKDRAAKRLSLESEGAGE GAAASPELSALEEAFRRFAV HGDARATGREMHGKNWSKLC KDCQVIDGRNVTVTDVDIVF SKIKGKSCRTITFEQFQEAL EELAKKRFKDKSSEEAVREV HRLIEGKAPIISGVTKAISS PTVSRLTDTTKFTGSHKERF DPSGKGKGKAGRVDLVDESG YVSGYKHAGTYDQKVQGGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 219 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53524 1 2 . ALA . 53524 1 3 . ASP . 53524 1 4 . LYS . 53524 1 5 . ALA . 53524 1 6 . LYS . 53524 1 7 . PRO . 53524 1 8 . ALA . 53524 1 9 . LYS . 53524 1 10 . ALA . 53524 1 11 . ALA . 53524 1 12 . ASN . 53524 1 13 . ARG . 53524 1 14 . THR . 53524 1 15 . PRO . 53524 1 16 . PRO . 53524 1 17 . LYS . 53524 1 18 . SER . 53524 1 19 . PRO . 53524 1 20 . GLY . 53524 1 21 . ASP . 53524 1 22 . PRO . 53524 1 23 . SER . 53524 1 24 . LYS . 53524 1 25 . ASP . 53524 1 26 . ARG . 53524 1 27 . ALA . 53524 1 28 . ALA . 53524 1 29 . LYS . 53524 1 30 . ARG . 53524 1 31 . LEU . 53524 1 32 . SER . 53524 1 33 . LEU . 53524 1 34 . GLU . 53524 1 35 . SER . 53524 1 36 . GLU . 53524 1 37 . GLY . 53524 1 38 . ALA . 53524 1 39 . GLY . 53524 1 40 . GLU . 53524 1 41 . GLY . 53524 1 42 . ALA . 53524 1 43 . ALA . 53524 1 44 . ALA . 53524 1 45 . SER . 53524 1 46 . PRO . 53524 1 47 . GLU . 53524 1 48 . LEU . 53524 1 49 . SER . 53524 1 50 . ALA . 53524 1 51 . LEU . 53524 1 52 . GLU . 53524 1 53 . GLU . 53524 1 54 . ALA . 53524 1 55 . PHE . 53524 1 56 . ARG . 53524 1 57 . ARG . 53524 1 58 . PHE . 53524 1 59 . ALA . 53524 1 60 . VAL . 53524 1 61 . HIS . 53524 1 62 . GLY . 53524 1 63 . ASP . 53524 1 64 . ALA . 53524 1 65 . ARG . 53524 1 66 . ALA . 53524 1 67 . THR . 53524 1 68 . GLY . 53524 1 69 . ARG . 53524 1 70 . GLU . 53524 1 71 . MET . 53524 1 72 . HIS . 53524 1 73 . GLY . 53524 1 74 . LYS . 53524 1 75 . ASN . 53524 1 76 . TRP . 53524 1 77 . SER . 53524 1 78 . LYS . 53524 1 79 . LEU . 53524 1 80 . CYS . 53524 1 81 . LYS . 53524 1 82 . ASP . 53524 1 83 . CYS . 53524 1 84 . GLN . 53524 1 85 . VAL . 53524 1 86 . ILE . 53524 1 87 . ASP . 53524 1 88 . GLY . 53524 1 89 . ARG . 53524 1 90 . ASN . 53524 1 91 . VAL . 53524 1 92 . THR . 53524 1 93 . VAL . 53524 1 94 . THR . 53524 1 95 . ASP . 53524 1 96 . VAL . 53524 1 97 . ASP . 53524 1 98 . ILE . 53524 1 99 . VAL . 53524 1 100 . PHE . 53524 1 101 . SER . 53524 1 102 . LYS . 53524 1 103 . ILE . 53524 1 104 . LYS . 53524 1 105 . GLY . 53524 1 106 . LYS . 53524 1 107 . SER . 53524 1 108 . CYS . 53524 1 109 . ARG . 53524 1 110 . THR . 53524 1 111 . ILE . 53524 1 112 . THR . 53524 1 113 . PHE . 53524 1 114 . GLU . 53524 1 115 . GLN . 53524 1 116 . PHE . 53524 1 117 . GLN . 53524 1 118 . GLU . 53524 1 119 . ALA . 53524 1 120 . LEU . 53524 1 121 . GLU . 53524 1 122 . GLU . 53524 1 123 . LEU . 53524 1 124 . ALA . 53524 1 125 . LYS . 53524 1 126 . LYS . 53524 1 127 . ARG . 53524 1 128 . PHE . 53524 1 129 . LYS . 53524 1 130 . ASP . 53524 1 131 . LYS . 53524 1 132 . SER . 53524 1 133 . SER . 53524 1 134 . GLU . 53524 1 135 . GLU . 53524 1 136 . ALA . 53524 1 137 . VAL . 53524 1 138 . ARG . 53524 1 139 . GLU . 53524 1 140 . VAL . 53524 1 141 . HIS . 53524 1 142 . ARG . 53524 1 143 . LEU . 53524 1 144 . ILE . 53524 1 145 . GLU . 53524 1 146 . GLY . 53524 1 147 . LYS . 53524 1 148 . ALA . 53524 1 149 . PRO . 53524 1 150 . ILE . 53524 1 151 . ILE . 53524 1 152 . SER . 53524 1 153 . GLY . 53524 1 154 . VAL . 53524 1 155 . THR . 53524 1 156 . LYS . 53524 1 157 . ALA . 53524 1 158 . ILE . 53524 1 159 . SER . 53524 1 160 . SER . 53524 1 161 . PRO . 53524 1 162 . THR . 53524 1 163 . VAL . 53524 1 164 . SER . 53524 1 165 . ARG . 53524 1 166 . LEU . 53524 1 167 . THR . 53524 1 168 . ASP . 53524 1 169 . THR . 53524 1 170 . THR . 53524 1 171 . LYS . 53524 1 172 . PHE . 53524 1 173 . THR . 53524 1 174 . GLY . 53524 1 175 . SER . 53524 1 176 . HIS . 53524 1 177 . LYS . 53524 1 178 . GLU . 53524 1 179 . ARG . 53524 1 180 . PHE . 53524 1 181 . ASP . 53524 1 182 . PRO . 53524 1 183 . SER . 53524 1 184 . GLY . 53524 1 185 . LYS . 53524 1 186 . GLY . 53524 1 187 . LYS . 53524 1 188 . GLY . 53524 1 189 . LYS . 53524 1 190 . ALA . 53524 1 191 . GLY . 53524 1 192 . ARG . 53524 1 193 . VAL . 53524 1 194 . ASP . 53524 1 195 . LEU . 53524 1 196 . VAL . 53524 1 197 . ASP . 53524 1 198 . GLU . 53524 1 199 . SER . 53524 1 200 . GLY . 53524 1 201 . TYR . 53524 1 202 . VAL . 53524 1 203 . SER . 53524 1 204 . GLY . 53524 1 205 . TYR . 53524 1 206 . LYS . 53524 1 207 . HIS . 53524 1 208 . ALA . 53524 1 209 . GLY . 53524 1 210 . THR . 53524 1 211 . TYR . 53524 1 212 . ASP . 53524 1 213 . GLN . 53524 1 214 . LYS . 53524 1 215 . VAL . 53524 1 216 . GLN . 53524 1 217 . GLY . 53524 1 218 . GLY . 53524 1 219 . LYS . 53524 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53524 1 . ALA 2 2 53524 1 . ASP 3 3 53524 1 . LYS 4 4 53524 1 . ALA 5 5 53524 1 . LYS 6 6 53524 1 . PRO 7 7 53524 1 . ALA 8 8 53524 1 . LYS 9 9 53524 1 . ALA 10 10 53524 1 . ALA 11 11 53524 1 . ASN 12 12 53524 1 . ARG 13 13 53524 1 . THR 14 14 53524 1 . PRO 15 15 53524 1 . PRO 16 16 53524 1 . LYS 17 17 53524 1 . SER 18 18 53524 1 . PRO 19 19 53524 1 . GLY 20 20 53524 1 . ASP 21 21 53524 1 . PRO 22 22 53524 1 . SER 23 23 53524 1 . LYS 24 24 53524 1 . ASP 25 25 53524 1 . ARG 26 26 53524 1 . ALA 27 27 53524 1 . ALA 28 28 53524 1 . LYS 29 29 53524 1 . ARG 30 30 53524 1 . LEU 31 31 53524 1 . SER 32 32 53524 1 . LEU 33 33 53524 1 . GLU 34 34 53524 1 . SER 35 35 53524 1 . GLU 36 36 53524 1 . GLY 37 37 53524 1 . ALA 38 38 53524 1 . GLY 39 39 53524 1 . GLU 40 40 53524 1 . GLY 41 41 53524 1 . ALA 42 42 53524 1 . ALA 43 43 53524 1 . ALA 44 44 53524 1 . SER 45 45 53524 1 . PRO 46 46 53524 1 . GLU 47 47 53524 1 . LEU 48 48 53524 1 . SER 49 49 53524 1 . ALA 50 50 53524 1 . LEU 51 51 53524 1 . GLU 52 52 53524 1 . GLU 53 53 53524 1 . ALA 54 54 53524 1 . PHE 55 55 53524 1 . ARG 56 56 53524 1 . ARG 57 57 53524 1 . PHE 58 58 53524 1 . ALA 59 59 53524 1 . VAL 60 60 53524 1 . HIS 61 61 53524 1 . GLY 62 62 53524 1 . ASP 63 63 53524 1 . ALA 64 64 53524 1 . ARG 65 65 53524 1 . ALA 66 66 53524 1 . THR 67 67 53524 1 . GLY 68 68 53524 1 . ARG 69 69 53524 1 . GLU 70 70 53524 1 . MET 71 71 53524 1 . HIS 72 72 53524 1 . GLY 73 73 53524 1 . LYS 74 74 53524 1 . ASN 75 75 53524 1 . TRP 76 76 53524 1 . SER 77 77 53524 1 . LYS 78 78 53524 1 . LEU 79 79 53524 1 . CYS 80 80 53524 1 . LYS 81 81 53524 1 . ASP 82 82 53524 1 . CYS 83 83 53524 1 . GLN 84 84 53524 1 . VAL 85 85 53524 1 . ILE 86 86 53524 1 . ASP 87 87 53524 1 . GLY 88 88 53524 1 . ARG 89 89 53524 1 . ASN 90 90 53524 1 . VAL 91 91 53524 1 . THR 92 92 53524 1 . VAL 93 93 53524 1 . THR 94 94 53524 1 . ASP 95 95 53524 1 . VAL 96 96 53524 1 . ASP 97 97 53524 1 . ILE 98 98 53524 1 . VAL 99 99 53524 1 . PHE 100 100 53524 1 . SER 101 101 53524 1 . LYS 102 102 53524 1 . ILE 103 103 53524 1 . LYS 104 104 53524 1 . GLY 105 105 53524 1 . LYS 106 106 53524 1 . SER 107 107 53524 1 . CYS 108 108 53524 1 . ARG 109 109 53524 1 . THR 110 110 53524 1 . ILE 111 111 53524 1 . THR 112 112 53524 1 . PHE 113 113 53524 1 . GLU 114 114 53524 1 . GLN 115 115 53524 1 . PHE 116 116 53524 1 . GLN 117 117 53524 1 . GLU 118 118 53524 1 . ALA 119 119 53524 1 . LEU 120 120 53524 1 . GLU 121 121 53524 1 . GLU 122 122 53524 1 . LEU 123 123 53524 1 . ALA 124 124 53524 1 . LYS 125 125 53524 1 . LYS 126 126 53524 1 . ARG 127 127 53524 1 . PHE 128 128 53524 1 . LYS 129 129 53524 1 . ASP 130 130 53524 1 . LYS 131 131 53524 1 . SER 132 132 53524 1 . SER 133 133 53524 1 . GLU 134 134 53524 1 . GLU 135 135 53524 1 . ALA 136 136 53524 1 . VAL 137 137 53524 1 . ARG 138 138 53524 1 . GLU 139 139 53524 1 . VAL 140 140 53524 1 . HIS 141 141 53524 1 . ARG 142 142 53524 1 . LEU 143 143 53524 1 . ILE 144 144 53524 1 . GLU 145 145 53524 1 . GLY 146 146 53524 1 . LYS 147 147 53524 1 . ALA 148 148 53524 1 . PRO 149 149 53524 1 . ILE 150 150 53524 1 . ILE 151 151 53524 1 . SER 152 152 53524 1 . GLY 153 153 53524 1 . VAL 154 154 53524 1 . THR 155 155 53524 1 . LYS 156 156 53524 1 . ALA 157 157 53524 1 . ILE 158 158 53524 1 . SER 159 159 53524 1 . SER 160 160 53524 1 . PRO 161 161 53524 1 . THR 162 162 53524 1 . VAL 163 163 53524 1 . SER 164 164 53524 1 . ARG 165 165 53524 1 . LEU 166 166 53524 1 . THR 167 167 53524 1 . ASP 168 168 53524 1 . THR 169 169 53524 1 . THR 170 170 53524 1 . LYS 171 171 53524 1 . PHE 172 172 53524 1 . THR 173 173 53524 1 . GLY 174 174 53524 1 . SER 175 175 53524 1 . HIS 176 176 53524 1 . LYS 177 177 53524 1 . GLU 178 178 53524 1 . ARG 179 179 53524 1 . PHE 180 180 53524 1 . ASP 181 181 53524 1 . PRO 182 182 53524 1 . SER 183 183 53524 1 . GLY 184 184 53524 1 . LYS 185 185 53524 1 . GLY 186 186 53524 1 . LYS 187 187 53524 1 . GLY 188 188 53524 1 . LYS 189 189 53524 1 . ALA 190 190 53524 1 . GLY 191 191 53524 1 . ARG 192 192 53524 1 . VAL 193 193 53524 1 . ASP 194 194 53524 1 . LEU 195 195 53524 1 . VAL 196 196 53524 1 . ASP 197 197 53524 1 . GLU 198 198 53524 1 . SER 199 199 53524 1 . GLY 200 200 53524 1 . TYR 201 201 53524 1 . VAL 202 202 53524 1 . SER 203 203 53524 1 . GLY 204 204 53524 1 . TYR 205 205 53524 1 . LYS 206 206 53524 1 . HIS 207 207 53524 1 . ALA 208 208 53524 1 . GLY 209 209 53524 1 . THR 210 210 53524 1 . TYR 211 211 53524 1 . ASP 212 212 53524 1 . GLN 213 213 53524 1 . LYS 214 214 53524 1 . VAL 215 215 53524 1 . GLN 216 216 53524 1 . GLY 217 217 53524 1 . GLY 218 218 53524 1 . LYS 219 219 53524 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53524 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53524 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53524 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-11d . . . 53524 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53524 _Sample.ID 1 _Sample.Name '15N13C TPPP/P25a core domain' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TPPP/P25a core domain' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 53524 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53524 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53524 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53524 _Sample_condition_list.ID 1 _Sample_condition_list.Name '15N13C TPPP/P25a core domain' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 53524 1 pressure 1 . atm 53524 1 temperature 298 . K 53524 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53524 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53524 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53524 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53524 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53524 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53524 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53524 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600 mHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53524 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53524 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53524 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53524 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53524 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53524 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53524 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53524 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53524 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone assignment of TPPP/P25a core domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53524 1 2 '3D HNCACB' . . . 53524 1 3 '3D CBCANH' . . . 53524 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53524 1 2 $software_2 . . 53524 1 3 $software_3 . . 53524 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 46 46 PRO CA C 13 63.9290 0.0000 . 1 . . . . . 46 PRO CA . 53524 1 2 . 1 . 1 46 46 PRO CB C 13 32.0610 0.0000 . 1 . . . . . 46 PRO CB . 53524 1 3 . 1 . 1 47 47 GLU H H 1 8.5920 0.0000 . 1 . . . . . 47 GLU H . 53524 1 4 . 1 . 1 47 47 GLU CA C 13 57.1980 0.0000 . 1 . . . . . 47 GLU CA . 53524 1 5 . 1 . 1 47 47 GLU CB C 13 29.9580 0.0000 . 1 . . . . . 47 GLU CB . 53524 1 6 . 1 . 1 47 47 GLU N N 15 120.8800 0.0000 . 1 . . . . . 47 GLU N . 53524 1 7 . 1 . 1 48 48 LEU H H 1 8.2270 0.0000 . 1 . . . . . 48 LEU H . 53524 1 8 . 1 . 1 48 48 LEU CA C 13 54.9890 0.0000 . 1 . . . . . 48 LEU CA . 53524 1 9 . 1 . 1 48 48 LEU CB C 13 43.1050 0.0000 . 1 . . . . . 48 LEU CB . 53524 1 10 . 1 . 1 48 48 LEU N N 15 123.1060 0.0000 . 1 . . . . . 48 LEU N . 53524 1 11 . 1 . 1 49 49 SER H H 1 8.5380 0.0000 . 1 . . . . . 49 SER H . 53524 1 12 . 1 . 1 49 49 SER CA C 13 59.5120 0.0000 . 1 . . . . . 49 SER CA . 53524 1 13 . 1 . 1 49 49 SER CB C 13 63.9290 0.0000 . 1 . . . . . 49 SER CB . 53524 1 14 . 1 . 1 49 49 SER N N 15 117.9410 0.0000 . 1 . . . . . 49 SER N . 53524 1 15 . 1 . 1 50 50 ALA H H 1 8.7200 0.0000 . 1 . . . . . 50 ALA H . 53524 1 16 . 1 . 1 50 50 ALA CA C 13 55.0950 0.0000 . 1 . . . . . 50 ALA CA . 53524 1 17 . 1 . 1 50 50 ALA CB C 13 18.0730 0.0000 . 1 . . . . . 50 ALA CB . 53524 1 18 . 1 . 1 50 50 ALA N N 15 124.3500 0.0000 . 1 . . . . . 50 ALA N . 53524 1 19 . 1 . 1 51 51 LEU H H 1 8.8520 0.0000 . 1 . . . . . 51 LEU H . 53524 1 20 . 1 . 1 51 51 LEU CA C 13 58.2500 0.0000 . 1 . . . . . 51 LEU CA . 53524 1 21 . 1 . 1 51 51 LEU CB C 13 42.0530 0.0000 . 1 . . . . . 51 LEU CB . 53524 1 22 . 1 . 1 51 51 LEU N N 15 122.2180 0.0000 . 1 . . . . . 51 LEU N . 53524 1 23 . 1 . 1 52 52 GLU H H 1 8.1400 0.0000 . 1 . . . . . 52 GLU H . 53524 1 24 . 1 . 1 52 52 GLU CA C 13 59.5120 0.0000 . 1 . . . . . 52 GLU CA . 53524 1 25 . 1 . 1 52 52 GLU CB C 13 28.9060 0.0000 . 1 . . . . . 52 GLU CB . 53524 1 26 . 1 . 1 52 52 GLU N N 15 120.8980 0.0000 . 1 . . . . . 52 GLU N . 53524 1 27 . 1 . 1 53 53 GLU H H 1 8.4260 0.0000 . 1 . . . . . 53 GLU H . 53524 1 28 . 1 . 1 53 53 GLU CA C 13 59.5120 0.0000 . 1 . . . . . 53 GLU CA . 53524 1 29 . 1 . 1 53 53 GLU CB C 13 29.5370 0.0000 . 1 . . . . . 53 GLU CB . 53524 1 30 . 1 . 1 53 53 GLU N N 15 118.9960 0.0000 . 1 . . . . . 53 GLU N . 53524 1 31 . 1 . 1 54 54 ALA H H 1 8.3640 0.0000 . 1 . . . . . 54 ALA H . 53524 1 32 . 1 . 1 54 54 ALA CA C 13 55.0950 0.0000 . 1 . . . . . 54 ALA CA . 53524 1 33 . 1 . 1 54 54 ALA CB C 13 18.5990 0.0000 . 1 . . . . . 54 ALA CB . 53524 1 34 . 1 . 1 54 54 ALA N N 15 123.5210 0.0000 . 1 . . . . . 54 ALA N . 53524 1 35 . 1 . 1 55 55 PHE H H 1 8.1190 0.0000 . 1 . . . . . 55 PHE H . 53524 1 36 . 1 . 1 55 55 PHE CA C 13 57.6190 0.0000 . 1 . . . . . 55 PHE CA . 53524 1 37 . 1 . 1 55 55 PHE CB C 13 41.7370 0.0000 . 1 . . . . . 55 PHE CB . 53524 1 38 . 1 . 1 55 55 PHE N N 15 115.5470 0.0000 . 1 . . . . . 55 PHE N . 53524 1 39 . 1 . 1 56 56 ARG H H 1 7.7080 0.0000 . 1 . . . . . 56 ARG H . 53524 1 40 . 1 . 1 56 56 ARG CA C 13 60.2480 0.0000 . 1 . . . . . 56 ARG CA . 53524 1 41 . 1 . 1 56 56 ARG CB C 13 28.9060 0.0000 . 1 . . . . . 56 ARG CB . 53524 1 42 . 1 . 1 56 56 ARG N N 15 119.1580 0.0000 . 1 . . . . . 56 ARG N . 53524 1 43 . 1 . 1 57 57 ARG CA C 13 59.7220 0.0000 . 1 . . . . . 57 ARG CA . 53524 1 44 . 1 . 1 57 57 ARG CB C 13 31.2200 0.0000 . 1 . . . . . 57 ARG CB . 53524 1 45 . 1 . 1 58 58 PHE H H 1 8.0300 0.0000 . 1 . . . . . 58 PHE H . 53524 1 46 . 1 . 1 58 58 PHE CA C 13 61.6150 0.0000 . 1 . . . . . 58 PHE CA . 53524 1 47 . 1 . 1 58 58 PHE CB C 13 40.4750 0.0000 . 1 . . . . . 58 PHE CB . 53524 1 48 . 1 . 1 58 58 PHE N N 15 114.6500 0.0000 . 1 . . . . . 58 PHE N . 53524 1 49 . 1 . 1 59 59 ALA H H 1 8.9970 0.0000 . 1 . . . . . 59 ALA H . 53524 1 50 . 1 . 1 59 59 ALA CA C 13 55.6200 0.0000 . 1 . . . . . 59 ALA CA . 53524 1 51 . 1 . 1 59 59 ALA CB C 13 18.0730 0.0000 . 1 . . . . . 59 ALA CB . 53524 1 52 . 1 . 1 59 59 ALA N N 15 122.5180 0.0000 . 1 . . . . . 59 ALA N . 53524 1 53 . 1 . 1 60 60 VAL H H 1 7.4090 0.0000 . 1 . . . . . 60 VAL H . 53524 1 54 . 1 . 1 60 60 VAL CA C 13 60.9840 0.0000 . 1 . . . . . 60 VAL CA . 53524 1 55 . 1 . 1 60 60 VAL CB C 13 31.3250 0.0000 . 1 . . . . . 60 VAL CB . 53524 1 56 . 1 . 1 60 60 VAL N N 15 106.1430 0.0000 . 1 . . . . . 60 VAL N . 53524 1 57 . 1 . 1 61 61 HIS H H 1 6.9890 0.0000 . 1 . . . . . 61 HIS H . 53524 1 58 . 1 . 1 61 61 HIS CA C 13 58.8810 0.0000 . 1 . . . . . 61 HIS CA . 53524 1 59 . 1 . 1 61 61 HIS CB C 13 30.1680 0.0000 . 1 . . . . . 61 HIS CB . 53524 1 60 . 1 . 1 61 61 HIS N N 15 122.2290 0.0000 . 1 . . . . . 61 HIS N . 53524 1 61 . 1 . 1 62 62 GLY H H 1 8.4180 0.0000 . 1 . . . . . 62 GLY H . 53524 1 62 . 1 . 1 62 62 GLY CA C 13 45.4180 0.0000 . 1 . . . . . 62 GLY CA . 53524 1 63 . 1 . 1 62 62 GLY N N 15 115.4490 0.0000 . 1 . . . . . 62 GLY N . 53524 1 64 . 1 . 1 63 63 ASP H H 1 7.6670 0.0000 . 1 . . . . . 63 ASP H . 53524 1 65 . 1 . 1 63 63 ASP N N 15 119.1790 0.0000 . 1 . . . . . 63 ASP N . 53524 1 66 . 1 . 1 64 64 ALA H H 1 8.6550 0.0000 . 1 . . . . . 64 ALA H . 53524 1 67 . 1 . 1 64 64 ALA CA C 13 54.0430 0.0000 . 1 . . . . . 64 ALA CA . 53524 1 68 . 1 . 1 64 64 ALA CB C 13 18.7040 0.0000 . 1 . . . . . 64 ALA CB . 53524 1 69 . 1 . 1 64 64 ALA N N 15 127.1640 0.0000 . 1 . . . . . 64 ALA N . 53524 1 70 . 1 . 1 65 65 ARG H H 1 8.2930 0.0000 . 1 . . . . . 65 ARG H . 53524 1 71 . 1 . 1 65 65 ARG CA C 13 55.5150 0.0000 . 1 . . . . . 65 ARG CA . 53524 1 72 . 1 . 1 65 65 ARG CB C 13 30.3790 0.0000 . 1 . . . . . 65 ARG CB . 53524 1 73 . 1 . 1 65 65 ARG N N 15 115.2920 0.0000 . 1 . . . . . 65 ARG N . 53524 1 74 . 1 . 1 66 66 ALA H H 1 7.4000 0.0000 . 1 . . . . . 66 ALA H . 53524 1 75 . 1 . 1 66 66 ALA CA C 13 52.4650 0.0000 . 1 . . . . . 66 ALA CA . 53524 1 76 . 1 . 1 66 66 ALA CB C 13 19.7560 0.0000 . 1 . . . . . 66 ALA CB . 53524 1 77 . 1 . 1 66 66 ALA N N 15 123.8180 0.0000 . 1 . . . . . 66 ALA N . 53524 1 78 . 1 . 1 67 67 THR H H 1 8.6030 0.0000 . 1 . . . . . 67 THR H . 53524 1 79 . 1 . 1 67 67 THR CA C 13 62.7720 0.0000 . 1 . . . . . 67 THR CA . 53524 1 80 . 1 . 1 67 67 THR CB C 13 70.5550 0.0000 . 1 . . . . . 67 THR CB . 53524 1 81 . 1 . 1 67 67 THR N N 15 110.3040 0.0000 . 1 . . . . . 67 THR N . 53524 1 82 . 1 . 1 68 68 GLY H H 1 8.6070 0.0000 . 1 . . . . . 68 GLY H . 53524 1 83 . 1 . 1 68 68 GLY CA C 13 45.7340 0.0000 . 1 . . . . . 68 GLY CA . 53524 1 84 . 1 . 1 68 68 GLY N N 15 110.3040 0.0000 . 1 . . . . . 68 GLY N . 53524 1 85 . 1 . 1 69 69 ARG H H 1 7.8110 0.0000 . 1 . . . . . 69 ARG H . 53524 1 86 . 1 . 1 69 69 ARG CA C 13 56.2510 0.0000 . 1 . . . . . 69 ARG CA . 53524 1 87 . 1 . 1 69 69 ARG CB C 13 31.4300 0.0000 . 1 . . . . . 69 ARG CB . 53524 1 88 . 1 . 1 69 69 ARG N N 15 114.4850 0.0000 . 1 . . . . . 69 ARG N . 53524 1 89 . 1 . 1 70 70 GLU H H 1 7.7450 0.0000 . 1 . . . . . 70 GLU H . 53524 1 90 . 1 . 1 70 70 GLU CA C 13 54.5690 0.0000 . 1 . . . . . 70 GLU CA . 53524 1 91 . 1 . 1 70 70 GLU CB C 13 33.1130 0.0000 . 1 . . . . . 70 GLU CB . 53524 1 92 . 1 . 1 70 70 GLU N N 15 115.2960 0.0000 . 1 . . . . . 70 GLU N . 53524 1 93 . 1 . 1 71 71 MET H H 1 9.4320 0.0000 . 1 . . . . . 71 MET H . 53524 1 94 . 1 . 1 71 71 MET CA C 13 54.1480 0.0000 . 1 . . . . . 71 MET CA . 53524 1 95 . 1 . 1 71 71 MET CB C 13 38.3720 0.0000 . 1 . . . . . 71 MET CB . 53524 1 96 . 1 . 1 71 71 MET N N 15 123.1890 0.0000 . 1 . . . . . 71 MET N . 53524 1 97 . 1 . 1 72 72 HIS H H 1 8.4470 0.0000 . 1 . . . . . 72 HIS H . 53524 1 98 . 1 . 1 72 72 HIS CA C 13 55.4440 0.0000 . 1 . . . . . 72 HIS CA . 53524 1 99 . 1 . 1 72 72 HIS CB C 13 32.0610 0.0000 . 1 . . . . . 72 HIS CB . 53524 1 100 . 1 . 1 72 72 HIS N N 15 124.4980 0.0000 . 1 . . . . . 72 HIS N . 53524 1 101 . 1 . 1 73 73 GLY H H 1 9.1430 0.0000 . 1 . . . . . 73 GLY H . 53524 1 102 . 1 . 1 73 73 GLY CA C 13 47.2060 0.0000 . 1 . . . . . 73 GLY CA . 53524 1 103 . 1 . 1 73 73 GLY N N 15 109.7480 0.0000 . 1 . . . . . 73 GLY N . 53524 1 104 . 1 . 1 74 74 LYS H H 1 8.6630 0.0000 . 1 . . . . . 74 LYS H . 53524 1 105 . 1 . 1 74 74 LYS CA C 13 59.1960 0.0000 . 1 . . . . . 74 LYS CA . 53524 1 106 . 1 . 1 74 74 LYS CB C 13 32.0610 0.0000 . 1 . . . . . 74 LYS CB . 53524 1 107 . 1 . 1 74 74 LYS N N 15 122.2350 0.0000 . 1 . . . . . 74 LYS N . 53524 1 108 . 1 . 1 75 75 ASN H H 1 8.0830 0.0000 . 1 . . . . . 75 ASN H . 53524 1 109 . 1 . 1 75 75 ASN CA C 13 55.2000 0.0000 . 1 . . . . . 75 ASN CA . 53524 1 110 . 1 . 1 75 75 ASN CB C 13 38.0560 0.0000 . 1 . . . . . 75 ASN CB . 53524 1 111 . 1 . 1 75 75 ASN N N 15 121.3100 0.0000 . 1 . . . . . 75 ASN N . 53524 1 112 . 1 . 1 76 76 TRP H H 1 8.1450 0.0000 . 1 . . . . . 76 TRP H . 53524 1 113 . 1 . 1 76 76 TRP CA C 13 59.8270 0.0000 . 1 . . . . . 76 TRP CA . 53524 1 114 . 1 . 1 76 76 TRP CB C 13 30.3790 0.0000 . 1 . . . . . 76 TRP CB . 53524 1 115 . 1 . 1 76 76 TRP N N 15 125.0370 0.0000 . 1 . . . . . 76 TRP N . 53524 1 116 . 1 . 1 77 77 SER H H 1 8.1260 0.0000 . 1 . . . . . 77 SER H . 53524 1 117 . 1 . 1 77 77 SER CA C 13 62.4570 0.0000 . 1 . . . . . 77 SER CA . 53524 1 118 . 1 . 1 77 77 SER N N 15 115.3320 0.0000 . 1 . . . . . 77 SER N . 53524 1 119 . 1 . 1 78 78 LYS H H 1 7.7990 0.0000 . 1 . . . . . 78 LYS H . 53524 1 120 . 1 . 1 78 78 LYS CA C 13 59.9330 0.0000 . 1 . . . . . 78 LYS CA . 53524 1 121 . 1 . 1 78 78 LYS CB C 13 32.5870 0.0000 . 1 . . . . . 78 LYS CB . 53524 1 122 . 1 . 1 78 78 LYS N N 15 120.8330 0.0000 . 1 . . . . . 78 LYS N . 53524 1 123 . 1 . 1 79 79 LEU H H 1 8.1060 0.0000 . 1 . . . . . 79 LEU H . 53524 1 124 . 1 . 1 79 79 LEU CA C 13 59.7220 0.0000 . 1 . . . . . 79 LEU CA . 53524 1 125 . 1 . 1 79 79 LEU CB C 13 40.7910 0.0000 . 1 . . . . . 79 LEU CB . 53524 1 126 . 1 . 1 79 79 LEU N N 15 120.8390 0.0000 . 1 . . . . . 79 LEU N . 53524 1 127 . 1 . 1 80 80 CYS H H 1 7.7900 0.0000 . 1 . . . . . 80 CYS H . 53524 1 128 . 1 . 1 80 80 CYS CA C 13 64.6650 0.0000 . 1 . . . . . 80 CYS CA . 53524 1 129 . 1 . 1 80 80 CYS CB C 13 26.6970 0.0000 . 1 . . . . . 80 CYS CB . 53524 1 130 . 1 . 1 80 80 CYS N N 15 116.2270 0.0000 . 1 . . . . . 80 CYS N . 53524 1 131 . 1 . 1 81 81 LYS H H 1 8.2690 0.0000 . 1 . . . . . 81 LYS H . 53524 1 132 . 1 . 1 81 81 LYS CA C 13 59.3010 0.0000 . 1 . . . . . 81 LYS CA . 53524 1 133 . 1 . 1 81 81 LYS CB C 13 33.1130 0.0000 . 1 . . . . . 81 LYS CB . 53524 1 134 . 1 . 1 81 81 LYS N N 15 122.3360 0.0000 . 1 . . . . . 81 LYS N . 53524 1 135 . 1 . 1 82 82 ASP H H 1 9.5260 0.0000 . 1 . . . . . 82 ASP H . 53524 1 136 . 1 . 1 82 82 ASP CA C 13 58.0390 0.0000 . 1 . . . . . 82 ASP CA . 53524 1 137 . 1 . 1 82 82 ASP CB C 13 40.6860 0.0000 . 1 . . . . . 82 ASP CB . 53524 1 138 . 1 . 1 82 82 ASP N N 15 123.4390 0.0000 . 1 . . . . . 82 ASP N . 53524 1 139 . 1 . 1 83 83 CYS H H 1 7.9960 0.0000 . 1 . . . . . 83 CYS H . 53524 1 140 . 1 . 1 83 83 CYS CA C 13 59.7220 0.0000 . 1 . . . . . 83 CYS CA . 53524 1 141 . 1 . 1 83 83 CYS CB C 13 27.7490 0.0000 . 1 . . . . . 83 CYS CB . 53524 1 142 . 1 . 1 83 83 CYS N N 15 112.8800 0.0000 . 1 . . . . . 83 CYS N . 53524 1 143 . 1 . 1 84 84 GLN H H 1 7.5060 0.0000 . 1 . . . . . 84 GLN H . 53524 1 144 . 1 . 1 84 84 GLN CA C 13 57.5140 0.0000 . 1 . . . . . 84 GLN CA . 53524 1 145 . 1 . 1 84 84 GLN CB C 13 25.2250 0.0000 . 1 . . . . . 84 GLN CB . 53524 1 146 . 1 . 1 84 84 GLN N N 15 109.3630 0.0000 . 1 . . . . . 84 GLN N . 53524 1 147 . 1 . 1 85 85 VAL H H 1 8.8820 0.0000 . 1 . . . . . 85 VAL H . 53524 1 148 . 1 . 1 85 85 VAL CA C 13 66.8740 0.0000 . 1 . . . . . 85 VAL CA . 53524 1 149 . 1 . 1 85 85 VAL CB C 13 31.9560 0.0000 . 1 . . . . . 85 VAL CB . 53524 1 150 . 1 . 1 85 85 VAL N N 15 118.9010 0.0000 . 1 . . . . . 85 VAL N . 53524 1 151 . 1 . 1 86 86 ILE H H 1 6.6080 0.0000 . 1 . . . . . 86 ILE H . 53524 1 152 . 1 . 1 86 86 ILE CA C 13 61.8260 0.0000 . 1 . . . . . 86 ILE CA . 53524 1 153 . 1 . 1 86 86 ILE CB C 13 39.8440 0.0000 . 1 . . . . . 86 ILE CB . 53524 1 154 . 1 . 1 86 86 ILE N N 15 114.3610 0.0000 . 1 . . . . . 86 ILE N . 53524 1 155 . 1 . 1 87 87 ASP H H 1 8.4150 0.0000 . 1 . . . . . 87 ASP H . 53524 1 156 . 1 . 1 87 87 ASP CA C 13 52.7810 0.0000 . 1 . . . . . 87 ASP CA . 53524 1 157 . 1 . 1 87 87 ASP CB C 13 41.5270 0.0000 . 1 . . . . . 87 ASP CB . 53524 1 158 . 1 . 1 87 87 ASP N N 15 125.9140 0.0000 . 1 . . . . . 87 ASP N . 53524 1 159 . 1 . 1 88 88 GLY H H 1 8.1510 0.0000 . 1 . . . . . 88 GLY H . 53524 1 160 . 1 . 1 88 88 GLY CA C 13 46.3650 0.0000 . 1 . . . . . 88 GLY CA . 53524 1 161 . 1 . 1 88 88 GLY N N 15 109.1990 0.0000 . 1 . . . . . 88 GLY N . 53524 1 162 . 1 . 1 89 89 ARG H H 1 7.9270 0.0000 . 1 . . . . . 89 ARG H . 53524 1 163 . 1 . 1 89 89 ARG CA C 13 57.5140 0.0000 . 1 . . . . . 89 ARG CA . 53524 1 164 . 1 . 1 89 89 ARG CB C 13 33.0080 0.0000 . 1 . . . . . 89 ARG CB . 53524 1 165 . 1 . 1 89 89 ARG N N 15 120.1010 0.0000 . 1 . . . . . 89 ARG N . 53524 1 166 . 1 . 1 90 90 ASN H H 1 9.7650 0.0000 . 1 . . . . . 90 ASN H . 53524 1 167 . 1 . 1 90 90 ASN CA C 13 55.6200 0.0000 . 1 . . . . . 90 ASN CA . 53524 1 168 . 1 . 1 90 90 ASN CB C 13 40.5800 0.0000 . 1 . . . . . 90 ASN CB . 53524 1 169 . 1 . 1 90 90 ASN N N 15 121.3380 0.0000 . 1 . . . . . 90 ASN N . 53524 1 170 . 1 . 1 91 91 VAL H H 1 8.4600 0.0000 . 1 . . . . . 91 VAL H . 53524 1 171 . 1 . 1 91 91 VAL CA C 13 61.3000 0.0000 . 1 . . . . . 91 VAL CA . 53524 1 172 . 1 . 1 91 91 VAL CB C 13 34.7960 0.0000 . 1 . . . . . 91 VAL CB . 53524 1 173 . 1 . 1 91 91 VAL N N 15 118.3270 0.0000 . 1 . . . . . 91 VAL N . 53524 1 174 . 1 . 1 92 92 THR H H 1 9.5200 0.0000 . 1 . . . . . 92 THR H . 53524 1 175 . 1 . 1 92 92 THR CA C 13 59.6170 0.0000 . 1 . . . . . 92 THR CA . 53524 1 176 . 1 . 1 92 92 THR CB C 13 72.7640 0.0000 . 1 . . . . . 92 THR CB . 53524 1 177 . 1 . 1 92 92 THR N N 15 119.2900 0.0000 . 1 . . . . . 92 THR N . 53524 1 178 . 1 . 1 93 93 VAL H H 1 8.8950 0.0000 . 1 . . . . . 93 VAL H . 53524 1 179 . 1 . 1 93 93 VAL CA C 13 66.0330 0.0000 . 1 . . . . . 93 VAL CA . 53524 1 180 . 1 . 1 93 93 VAL CB C 13 31.7460 0.0000 . 1 . . . . . 93 VAL CB . 53524 1 181 . 1 . 1 93 93 VAL N N 15 118.5350 0.0000 . 1 . . . . . 93 VAL N . 53524 1 182 . 1 . 1 94 94 THR H H 1 7.5190 0.0000 . 1 . . . . . 94 THR H . 53524 1 183 . 1 . 1 94 94 THR CA C 13 66.3480 0.0000 . 1 . . . . . 94 THR CA . 53524 1 184 . 1 . 1 94 94 THR CB C 13 68.6620 0.0000 . 1 . . . . . 94 THR CB . 53524 1 185 . 1 . 1 94 94 THR N N 15 115.2960 0.0000 . 1 . . . . . 94 THR N . 53524 1 186 . 1 . 1 95 95 ASP H H 1 7.4190 0.0000 . 1 . . . . . 95 ASP H . 53524 1 187 . 1 . 1 95 95 ASP CA C 13 58.2500 0.0000 . 1 . . . . . 95 ASP CA . 53524 1 188 . 1 . 1 95 95 ASP CB C 13 41.8430 0.0000 . 1 . . . . . 95 ASP CB . 53524 1 189 . 1 . 1 95 95 ASP N N 15 120.0520 0.0000 . 1 . . . . . 95 ASP N . 53524 1 190 . 1 . 1 96 96 VAL H H 1 7.4440 0.0000 . 1 . . . . . 96 VAL H . 53524 1 191 . 1 . 1 96 96 VAL CA C 13 66.2430 0.0000 . 1 . . . . . 96 VAL CA . 53524 1 192 . 1 . 1 96 96 VAL CB C 13 31.4300 0.0000 . 1 . . . . . 96 VAL CB . 53524 1 193 . 1 . 1 96 96 VAL N N 15 116.3210 0.0000 . 1 . . . . . 96 VAL N . 53524 1 194 . 1 . 1 97 97 ASP CA C 13 55.8310 0.0000 . 1 . . . . . 97 ASP CA . 53524 1 195 . 1 . 1 97 97 ASP CB C 13 40.3700 0.0000 . 1 . . . . . 97 ASP CB . 53524 1 196 . 1 . 1 98 98 ILE H H 1 8.4310 0.0000 . 1 . . . . . 98 ILE H . 53524 1 197 . 1 . 1 98 98 ILE CA C 13 65.0860 0.0000 . 1 . . . . . 98 ILE CA . 53524 1 198 . 1 . 1 98 98 ILE CB C 13 37.8460 0.0000 . 1 . . . . . 98 ILE CB . 53524 1 199 . 1 . 1 98 98 ILE N N 15 122.3930 0.0000 . 1 . . . . . 98 ILE N . 53524 1 200 . 1 . 1 99 99 VAL H H 1 8.0420 0.0000 . 1 . . . . . 99 VAL H . 53524 1 201 . 1 . 1 99 99 VAL CA C 13 66.5590 0.0000 . 1 . . . . . 99 VAL CA . 53524 1 202 . 1 . 1 99 99 VAL CB C 13 31.8510 0.0000 . 1 . . . . . 99 VAL CB . 53524 1 203 . 1 . 1 99 99 VAL N N 15 119.6240 0.0000 . 1 . . . . . 99 VAL N . 53524 1 204 . 1 . 1 100 100 PHE H H 1 7.6290 0.0000 . 1 . . . . . 100 PHE H . 53524 1 205 . 1 . 1 100 100 PHE CA C 13 62.6670 0.0000 . 1 . . . . . 100 PHE CA . 53524 1 206 . 1 . 1 100 100 PHE CB C 13 39.4240 0.0000 . 1 . . . . . 100 PHE CB . 53524 1 207 . 1 . 1 100 100 PHE N N 15 120.3610 0.0000 . 1 . . . . . 100 PHE N . 53524 1 208 . 1 . 1 101 101 SER H H 1 7.8400 0.0000 . 1 . . . . . 101 SER H . 53524 1 209 . 1 . 1 101 101 SER CA C 13 61.6150 0.0000 . 1 . . . . . 101 SER CA . 53524 1 210 . 1 . 1 101 101 SER CB C 13 63.6140 0.0000 . 1 . . . . . 101 SER CB . 53524 1 211 . 1 . 1 101 101 SER N N 15 110.6980 0.0000 . 1 . . . . . 101 SER N . 53524 1 212 . 1 . 1 102 102 LYS H H 1 7.8660 0.0000 . 1 . . . . . 102 LYS H . 53524 1 213 . 1 . 1 102 102 LYS CA C 13 58.5650 0.0000 . 1 . . . . . 102 LYS CA . 53524 1 214 . 1 . 1 102 102 LYS CB C 13 33.1130 0.0000 . 1 . . . . . 102 LYS CB . 53524 1 215 . 1 . 1 102 102 LYS N N 15 120.3300 0.0000 . 1 . . . . . 102 LYS N . 53524 1 216 . 1 . 1 103 103 ILE H H 1 7.5990 0.0000 . 1 . . . . . 103 ILE H . 53524 1 217 . 1 . 1 103 103 ILE CA C 13 61.1950 0.0000 . 1 . . . . . 103 ILE CA . 53524 1 218 . 1 . 1 103 103 ILE CB C 13 38.3720 0.0000 . 1 . . . . . 103 ILE CB . 53524 1 219 . 1 . 1 103 103 ILE N N 15 118.0230 0.0000 . 1 . . . . . 103 ILE N . 53524 1 220 . 1 . 1 104 104 LYS H H 1 7.4550 0.0000 . 1 . . . . . 104 LYS H . 53524 1 221 . 1 . 1 104 104 LYS CA C 13 56.7770 0.0000 . 1 . . . . . 104 LYS CA . 53524 1 222 . 1 . 1 104 104 LYS CB C 13 32.2720 0.0000 . 1 . . . . . 104 LYS CB . 53524 1 223 . 1 . 1 104 104 LYS N N 15 119.1390 0.0000 . 1 . . . . . 104 LYS N . 53524 1 224 . 1 . 1 105 105 GLY H H 1 8.1140 0.0000 . 1 . . . . . 105 GLY H . 53524 1 225 . 1 . 1 105 105 GLY CA C 13 45.4180 0.0000 . 1 . . . . . 105 GLY CA . 53524 1 226 . 1 . 1 105 105 GLY N N 15 107.4910 0.0000 . 1 . . . . . 105 GLY N . 53524 1 227 . 1 . 1 109 109 ARG CA C 13 56.5670 0.0000 . 1 . . . . . 109 ARG CA . 53524 1 228 . 1 . 1 109 109 ARG CB C 13 31.9560 0.0000 . 1 . . . . . 109 ARG CB . 53524 1 229 . 1 . 1 110 110 THR H H 1 7.4910 0.0000 . 1 . . . . . 110 THR H . 53524 1 230 . 1 . 1 110 110 THR CA C 13 58.8810 0.0000 . 1 . . . . . 110 THR CA . 53524 1 231 . 1 . 1 110 110 THR CB C 13 73.0790 0.0000 . 1 . . . . . 110 THR CB . 53524 1 232 . 1 . 1 110 110 THR N N 15 108.2280 0.0000 . 1 . . . . . 110 THR N . 53524 1 233 . 1 . 1 111 111 ILE H H 1 8.6850 0.0000 . 1 . . . . . 111 ILE H . 53524 1 234 . 1 . 1 111 111 ILE CA C 13 59.1960 0.0000 . 1 . . . . . 111 ILE CA . 53524 1 235 . 1 . 1 111 111 ILE CB C 13 41.7370 0.0000 . 1 . . . . . 111 ILE CB . 53524 1 236 . 1 . 1 111 111 ILE N N 15 109.5030 0.0000 . 1 . . . . . 111 ILE N . 53524 1 237 . 1 . 1 112 112 THR H H 1 8.3020 0.0000 . 1 . . . . . 112 THR H . 53524 1 238 . 1 . 1 112 112 THR CA C 13 60.0380 0.0000 . 1 . . . . . 112 THR CA . 53524 1 239 . 1 . 1 112 112 THR CB C 13 72.3430 0.0000 . 1 . . . . . 112 THR CB . 53524 1 240 . 1 . 1 112 112 THR N N 15 111.0600 0.0000 . 1 . . . . . 112 THR N . 53524 1 241 . 1 . 1 113 113 PHE H H 1 9.3950 0.0000 . 1 . . . . . 113 PHE H . 53524 1 242 . 1 . 1 113 113 PHE CA C 13 60.1430 0.0000 . 1 . . . . . 113 PHE CA . 53524 1 243 . 1 . 1 113 113 PHE CB C 13 38.8980 0.0000 . 1 . . . . . 113 PHE CB . 53524 1 244 . 1 . 1 113 113 PHE N N 15 121.4010 0.0000 . 1 . . . . . 113 PHE N . 53524 1 245 . 1 . 1 114 114 GLU H H 1 8.7080 0.0000 . 1 . . . . . 114 GLU H . 53524 1 246 . 1 . 1 114 114 GLU CA C 13 60.7740 0.0000 . 1 . . . . . 114 GLU CA . 53524 1 247 . 1 . 1 114 114 GLU CB C 13 29.0110 0.0000 . 1 . . . . . 114 GLU CB . 53524 1 248 . 1 . 1 114 114 GLU N N 15 119.4500 0.0000 . 1 . . . . . 114 GLU N . 53524 1 249 . 1 . 1 115 115 GLN H H 1 7.2040 0.0000 . 1 . . . . . 115 GLN H . 53524 1 250 . 1 . 1 115 115 GLN CA C 13 58.2500 0.0000 . 1 . . . . . 115 GLN CA . 53524 1 251 . 1 . 1 115 115 GLN CB C 13 29.5370 0.0000 . 1 . . . . . 115 GLN CB . 53524 1 252 . 1 . 1 115 115 GLN N N 15 119.7260 0.0000 . 1 . . . . . 115 GLN N . 53524 1 253 . 1 . 1 116 116 PHE H H 1 8.7080 0.0000 . 1 . . . . . 116 PHE H . 53524 1 254 . 1 . 1 116 116 PHE CA C 13 60.3530 0.0000 . 1 . . . . . 116 PHE CA . 53524 1 255 . 1 . 1 116 116 PHE CB C 13 39.5290 0.0000 . 1 . . . . . 116 PHE CB . 53524 1 256 . 1 . 1 116 116 PHE N N 15 121.7080 0.0000 . 1 . . . . . 116 PHE N . 53524 1 257 . 1 . 1 117 117 GLN H H 1 7.7170 0.0000 . 1 . . . . . 117 GLN H . 53524 1 258 . 1 . 1 117 117 GLN CA C 13 60.3530 0.0000 . 1 . . . . . 117 GLN CA . 53524 1 259 . 1 . 1 117 117 GLN CB C 13 30.0630 0.0000 . 1 . . . . . 117 GLN CB . 53524 1 260 . 1 . 1 117 117 GLN N N 15 117.0910 0.0000 . 1 . . . . . 117 GLN N . 53524 1 261 . 1 . 1 118 118 GLU H H 1 7.1570 0.0000 . 1 . . . . . 118 GLU H . 53524 1 262 . 1 . 1 118 118 GLU CA C 13 59.6170 0.0000 . 1 . . . . . 118 GLU CA . 53524 1 263 . 1 . 1 118 118 GLU CB C 13 29.6420 0.0000 . 1 . . . . . 118 GLU CB . 53524 1 264 . 1 . 1 118 118 GLU N N 15 120.6130 0.0000 . 1 . . . . . 118 GLU N . 53524 1 265 . 1 . 1 119 119 ALA H H 1 7.6400 0.0000 . 1 . . . . . 119 ALA H . 53524 1 266 . 1 . 1 119 119 ALA CA C 13 56.0410 0.0000 . 1 . . . . . 119 ALA CA . 53524 1 267 . 1 . 1 119 119 ALA CB C 13 19.5460 0.0000 . 1 . . . . . 119 ALA CB . 53524 1 268 . 1 . 1 119 119 ALA N N 15 121.2530 0.0000 . 1 . . . . . 119 ALA N . 53524 1 269 . 1 . 1 120 120 LEU H H 1 8.5300 0.0000 . 1 . . . . . 120 LEU H . 53524 1 270 . 1 . 1 120 120 LEU CA C 13 51.5680 0.0000 . 1 . . . . . 120 LEU CA . 53524 1 271 . 1 . 1 120 120 LEU CB C 13 39.1080 0.0000 . 1 . . . . . 120 LEU CB . 53524 1 272 . 1 . 1 120 120 LEU N N 15 118.3860 0.0000 . 1 . . . . . 120 LEU N . 53524 1 273 . 1 . 1 121 121 GLU CA C 13 60.3530 0.0000 . 1 . . . . . 121 GLU CA . 53524 1 274 . 1 . 1 121 121 GLU CB C 13 28.8010 0.0000 . 1 . . . . . 121 GLU CB . 53524 1 275 . 1 . 1 122 122 GLU H H 1 7.4640 0.0000 . 1 . . . . . 122 GLU H . 53524 1 276 . 1 . 1 122 122 GLU CA C 13 59.4070 0.0000 . 1 . . . . . 122 GLU CA . 53524 1 277 . 1 . 1 122 122 GLU CB C 13 29.4320 0.0000 . 1 . . . . . 122 GLU CB . 53524 1 278 . 1 . 1 122 122 GLU N N 15 117.7790 0.0000 . 1 . . . . . 122 GLU N . 53524 1 279 . 1 . 1 123 123 LEU H H 1 7.9330 0.0000 . 1 . . . . . 123 LEU H . 53524 1 280 . 1 . 1 123 123 LEU CA C 13 56.9880 0.0000 . 1 . . . . . 123 LEU CA . 53524 1 281 . 1 . 1 123 123 LEU CB C 13 42.4740 0.0000 . 1 . . . . . 123 LEU CB . 53524 1 282 . 1 . 1 123 123 LEU N N 15 116.6640 0.0000 . 1 . . . . . 123 LEU N . 53524 1 283 . 1 . 1 124 124 ALA H H 1 8.7810 0.0000 . 1 . . . . . 124 ALA H . 53524 1 284 . 1 . 1 124 124 ALA CA C 13 56.3570 0.0000 . 1 . . . . . 124 ALA CA . 53524 1 285 . 1 . 1 124 124 ALA CB C 13 18.7040 0.0000 . 1 . . . . . 124 ALA CB . 53524 1 286 . 1 . 1 124 124 ALA N N 15 122.8110 0.0000 . 1 . . . . . 124 ALA N . 53524 1 287 . 1 . 1 125 125 LYS H H 1 7.1950 0.0000 . 1 . . . . . 125 LYS H . 53524 1 288 . 1 . 1 125 125 LYS CA C 13 58.2500 0.0000 . 1 . . . . . 125 LYS CA . 53524 1 289 . 1 . 1 125 125 LYS CB C 13 32.4820 0.0000 . 1 . . . . . 125 LYS CB . 53524 1 290 . 1 . 1 125 125 LYS N N 15 113.0990 0.0000 . 1 . . . . . 125 LYS N . 53524 1 291 . 1 . 1 126 126 LYS H H 1 6.9330 0.0000 . 1 . . . . . 126 LYS H . 53524 1 292 . 1 . 1 126 126 LYS CA C 13 57.8290 0.0000 . 1 . . . . . 126 LYS CA . 53524 1 293 . 1 . 1 126 126 LYS CB C 13 34.0600 0.0000 . 1 . . . . . 126 LYS CB . 53524 1 294 . 1 . 1 126 126 LYS N N 15 115.6070 0.0000 . 1 . . . . . 126 LYS N . 53524 1 295 . 1 . 1 127 127 ARG H H 1 8.0940 0.0000 . 1 . . . . . 127 ARG H . 53524 1 296 . 1 . 1 127 127 ARG CA C 13 56.4620 0.0000 . 1 . . . . . 127 ARG CA . 53524 1 297 . 1 . 1 127 127 ARG CB C 13 30.9040 0.0000 . 1 . . . . . 127 ARG CB . 53524 1 298 . 1 . 1 127 127 ARG N N 15 117.5150 0.0000 . 1 . . . . . 127 ARG N . 53524 1 299 . 1 . 1 128 128 PHE H H 1 7.7200 0.0000 . 1 . . . . . 128 PHE H . 53524 1 300 . 1 . 1 128 128 PHE CA C 13 56.0410 0.0000 . 1 . . . . . 128 PHE CA . 53524 1 301 . 1 . 1 128 128 PHE CB C 13 39.1080 0.0000 . 1 . . . . . 128 PHE CB . 53524 1 302 . 1 . 1 128 128 PHE N N 15 117.4770 0.0000 . 1 . . . . . 128 PHE N . 53524 1 303 . 1 . 1 129 129 LYS H H 1 7.9200 0.0000 . 1 . . . . . 129 LYS H . 53524 1 304 . 1 . 1 129 129 LYS CA C 13 58.5650 0.0000 . 1 . . . . . 129 LYS CA . 53524 1 305 . 1 . 1 129 129 LYS CB C 13 32.6920 0.0000 . 1 . . . . . 129 LYS CB . 53524 1 306 . 1 . 1 129 129 LYS N N 15 120.0800 0.0000 . 1 . . . . . 129 LYS N . 53524 1 307 . 1 . 1 130 130 ASP H H 1 8.7710 0.0000 . 1 . . . . . 130 ASP H . 53524 1 308 . 1 . 1 130 130 ASP CA C 13 53.9380 0.0000 . 1 . . . . . 130 ASP CA . 53524 1 309 . 1 . 1 130 130 ASP CB C 13 40.2650 0.0000 . 1 . . . . . 130 ASP CB . 53524 1 310 . 1 . 1 130 130 ASP N N 15 115.6610 0.0000 . 1 . . . . . 130 ASP N . 53524 1 311 . 1 . 1 131 131 LYS H H 1 7.2720 0.0000 . 1 . . . . . 131 LYS H . 53524 1 312 . 1 . 1 131 131 LYS CA C 13 54.4630 0.0000 . 1 . . . . . 131 LYS CA . 53524 1 313 . 1 . 1 131 131 LYS CB C 13 35.5320 0.0000 . 1 . . . . . 131 LYS CB . 53524 1 314 . 1 . 1 131 131 LYS N N 15 118.5770 0.0000 . 1 . . . . . 131 LYS N . 53524 1 315 . 1 . 1 132 132 SER H H 1 8.7050 0.0000 . 1 . . . . . 132 SER H . 53524 1 316 . 1 . 1 132 132 SER CA C 13 58.0390 0.0000 . 1 . . . . . 132 SER CA . 53524 1 317 . 1 . 1 132 132 SER CB C 13 64.2450 0.0000 . 1 . . . . . 132 SER CB . 53524 1 318 . 1 . 1 132 132 SER N N 15 117.5260 0.0000 . 1 . . . . . 132 SER N . 53524 1 319 . 1 . 1 133 133 SER H H 1 8.9380 0.0000 . 1 . . . . . 133 SER H . 53524 1 320 . 1 . 1 133 133 SER CA C 13 62.5610 0.0000 . 1 . . . . . 133 SER CA . 53524 1 321 . 1 . 1 133 133 SER CB C 13 64.9290 0.0000 . 1 . . . . . 133 SER CB . 53524 1 322 . 1 . 1 133 133 SER N N 15 117.5970 0.0000 . 1 . . . . . 133 SER N . 53524 1 323 . 1 . 1 134 134 GLU H H 1 8.621 0.0000 . 1 . . . . . 134 GLU H . 53524 1 324 . 1 . 1 134 134 GLU CA C 13 59.7270 0.0000 . 1 . . . . . 134 GLU CA . 53524 1 325 . 1 . 1 134 134 GLU CB C 13 29.4320 0.0000 . 1 . . . . . 134 GLU CB . 53524 1 326 . 1 . 1 134 134 GLU N N 15 118.702 0.0000 . 1 . . . . . 134 GLU N . 53524 1 327 . 1 . 1 135 135 GLU H H 1 7.5090 0.0000 . 1 . . . . . 135 GLU H . 53524 1 328 . 1 . 1 135 135 GLU CA C 13 58.7760 0.0000 . 1 . . . . . 135 GLU CA . 53524 1 329 . 1 . 1 135 135 GLU CB C 13 30.3790 0.0000 . 1 . . . . . 135 GLU CB . 53524 1 330 . 1 . 1 135 135 GLU N N 15 119.8630 0.0000 . 1 . . . . . 135 GLU N . 53524 1 331 . 1 . 1 136 136 ALA H H 1 8.9510 0.0000 . 1 . . . . . 136 ALA H . 53524 1 332 . 1 . 1 136 136 ALA CA C 13 55.7260 0.0000 . 1 . . . . . 136 ALA CA . 53524 1 333 . 1 . 1 136 136 ALA CB C 13 18.8090 0.0000 . 1 . . . . . 136 ALA CB . 53524 1 334 . 1 . 1 136 136 ALA N N 15 122.8520 0.0000 . 1 . . . . . 136 ALA N . 53524 1 335 . 1 . 1 137 137 VAL H H 1 7.8430 0.0000 . 1 . . . . . 137 VAL H . 53524 1 336 . 1 . 1 137 137 VAL CA C 13 66.7690 0.0000 . 1 . . . . . 137 VAL CA . 53524 1 337 . 1 . 1 137 137 VAL CB C 13 31.3250 0.0000 . 1 . . . . . 137 VAL CB . 53524 1 338 . 1 . 1 137 137 VAL N N 15 116.8400 0.0000 . 1 . . . . . 137 VAL N . 53524 1 339 . 1 . 1 138 138 ARG H H 1 7.1620 0.0000 . 1 . . . . . 138 ARG H . 53524 1 340 . 1 . 1 138 138 ARG CA C 13 59.4070 0.0000 . 1 . . . . . 138 ARG CA . 53524 1 341 . 1 . 1 138 138 ARG CB C 13 29.7480 0.0000 . 1 . . . . . 138 ARG CB . 53524 1 342 . 1 . 1 138 138 ARG N N 15 118.4840 0.0000 . 1 . . . . . 138 ARG N . 53524 1 343 . 1 . 1 139 139 GLU H H 1 7.9630 0.0000 . 1 . . . . . 139 GLU H . 53524 1 344 . 1 . 1 139 139 GLU CA C 13 58.5650 0.0000 . 1 . . . . . 139 GLU CA . 53524 1 345 . 1 . 1 139 139 GLU CB C 13 27.8540 0.0000 . 1 . . . . . 139 GLU CB . 53524 1 346 . 1 . 1 139 139 GLU N N 15 117.6250 0.0000 . 1 . . . . . 139 GLU N . 53524 1 347 . 1 . 1 140 140 VAL H H 1 8.0480 0.0000 . 1 . . . . . 140 VAL H . 53524 1 348 . 1 . 1 140 140 VAL CA C 13 66.7690 0.0000 . 1 . . . . . 140 VAL CA . 53524 1 349 . 1 . 1 140 140 VAL CB C 13 31.3250 0.0000 . 1 . . . . . 140 VAL CB . 53524 1 350 . 1 . 1 140 140 VAL N N 15 120.7500 0.0000 . 1 . . . . . 140 VAL N . 53524 1 351 . 1 . 1 141 141 HIS H H 1 8.6440 0.0000 . 1 . . . . . 141 HIS H . 53524 1 352 . 1 . 1 141 141 HIS CA C 13 58.9860 0.0000 . 1 . . . . . 141 HIS CA . 53524 1 353 . 1 . 1 141 141 HIS CB C 13 30.3790 0.0000 . 1 . . . . . 141 HIS CB . 53524 1 354 . 1 . 1 141 141 HIS N N 15 119.7730 0.0000 . 1 . . . . . 141 HIS N . 53524 1 355 . 1 . 1 142 142 ARG H H 1 8.1360 0.0000 . 1 . . . . . 142 ARG H . 53524 1 356 . 1 . 1 142 142 ARG CA C 13 58.9860 0.0000 . 1 . . . . . 142 ARG CA . 53524 1 357 . 1 . 1 142 142 ARG CB C 13 30.3790 0.0000 . 1 . . . . . 142 ARG CB . 53524 1 358 . 1 . 1 142 142 ARG N N 15 118.2190 0.0000 . 1 . . . . . 142 ARG N . 53524 1 359 . 1 . 1 143 143 LEU H H 1 7.5400 0.0000 . 1 . . . . . 143 LEU H . 53524 1 360 . 1 . 1 143 143 LEU CA C 13 57.1980 0.0000 . 1 . . . . . 143 LEU CA . 53524 1 361 . 1 . 1 143 143 LEU CB C 13 41.1060 0.0000 . 1 . . . . . 143 LEU CB . 53524 1 362 . 1 . 1 143 143 LEU N N 15 117.7840 0.0000 . 1 . . . . . 143 LEU N . 53524 1 363 . 1 . 1 144 144 ILE H H 1 7.1910 0.0000 . 1 . . . . . 144 ILE H . 53524 1 364 . 1 . 1 144 144 ILE CA C 13 62.3520 0.0000 . 1 . . . . . 144 ILE CA . 53524 1 365 . 1 . 1 144 144 ILE CB C 13 41.5270 0.0000 . 1 . . . . . 144 ILE CB . 53524 1 366 . 1 . 1 144 144 ILE N N 15 117.2720 0.0000 . 1 . . . . . 144 ILE N . 53524 1 367 . 1 . 1 145 145 GLU H H 1 8.0690 0.0000 . 1 . . . . . 145 GLU H . 53524 1 368 . 1 . 1 145 145 GLU CA C 13 59.1960 0.0000 . 1 . . . . . 145 GLU CA . 53524 1 369 . 1 . 1 145 145 GLU CB C 13 29.8530 0.0000 . 1 . . . . . 145 GLU CB . 53524 1 370 . 1 . 1 145 145 GLU N N 15 117.4550 0.0000 . 1 . . . . . 145 GLU N . 53524 1 371 . 1 . 1 146 146 GLY H H 1 8.8850 0.0000 . 1 . . . . . 146 GLY H . 53524 1 372 . 1 . 1 146 146 GLY CA C 13 45.4180 0.0000 . 1 . . . . . 146 GLY CA . 53524 1 373 . 1 . 1 146 146 GLY N N 15 109.8360 0.0000 . 1 . . . . . 146 GLY N . 53524 1 374 . 1 . 1 147 147 LYS H H 1 7.9410 0.0000 . 1 . . . . . 147 LYS H . 53524 1 375 . 1 . 1 147 147 LYS CA C 13 55.3050 0.0000 . 1 . . . . . 147 LYS CA . 53524 1 376 . 1 . 1 147 147 LYS CB C 13 33.7440 0.0000 . 1 . . . . . 147 LYS CB . 53524 1 377 . 1 . 1 147 147 LYS N N 15 119.3000 0.0000 . 1 . . . . . 147 LYS N . 53524 1 378 . 1 . 1 148 148 ALA H H 1 7.9190 0.0000 . 1 . . . . . 148 ALA H . 53524 1 379 . 1 . 1 148 148 ALA CA C 13 49.7310 0.0000 . 1 . . . . . 148 ALA CA . 53524 1 380 . 1 . 1 148 148 ALA CB C 13 20.3870 0.0000 . 1 . . . . . 148 ALA CB . 53524 1 381 . 1 . 1 148 148 ALA N N 15 121.1750 0.0000 . 1 . . . . . 148 ALA N . 53524 1 382 . 1 . 1 149 149 PRO CA C 13 62.0360 0.0000 . 1 . . . . . 149 PRO CA . 53524 1 383 . 1 . 1 149 149 PRO CB C 13 31.1150 0.0000 . 1 . . . . . 149 PRO CB . 53524 1 384 . 1 . 1 150 150 ILE H H 1 8.5350 0.0000 . 1 . . . . . 150 ILE H . 53524 1 385 . 1 . 1 150 150 ILE CA C 13 61.4050 0.0000 . 1 . . . . . 150 ILE CA . 53524 1 386 . 1 . 1 150 150 ILE CB C 13 38.4770 0.0000 . 1 . . . . . 150 ILE CB . 53524 1 387 . 1 . 1 150 150 ILE N N 15 125.5170 0.0000 . 1 . . . . . 150 ILE N . 53524 1 388 . 1 . 1 151 151 ILE H H 1 8.5550 0.0000 . 1 . . . . . 151 ILE H . 53524 1 389 . 1 . 1 151 151 ILE CA C 13 60.5640 0.0000 . 1 . . . . . 151 ILE CA . 53524 1 390 . 1 . 1 151 151 ILE CB C 13 38.4770 0.0000 . 1 . . . . . 151 ILE CB . 53524 1 391 . 1 . 1 151 151 ILE N N 15 128.7000 0.0000 . 1 . . . . . 151 ILE N . 53524 1 392 . 1 . 1 153 153 GLY CA C 13 43.1050 0.0000 . 1 . . . . . 153 GLY CA . 53524 1 393 . 1 . 1 154 154 VAL H H 1 7.9910 0.0000 . 1 . . . . . 154 VAL H . 53524 1 394 . 1 . 1 154 154 VAL CA C 13 62.5620 0.0000 . 1 . . . . . 154 VAL CA . 53524 1 395 . 1 . 1 154 154 VAL CB C 13 32.9030 0.0000 . 1 . . . . . 154 VAL CB . 53524 1 396 . 1 . 1 154 154 VAL N N 15 119.2990 0.0000 . 1 . . . . . 154 VAL N . 53524 1 397 . 1 . 1 155 155 THR H H 1 8.2620 0.0000 . 1 . . . . . 155 THR H . 53524 1 398 . 1 . 1 155 155 THR CA C 13 62.0360 0.0000 . 1 . . . . . 155 THR CA . 53524 1 399 . 1 . 1 155 155 THR CB C 13 69.7140 0.0000 . 1 . . . . . 155 THR CB . 53524 1 400 . 1 . 1 155 155 THR N N 15 118.8950 0.0000 . 1 . . . . . 155 THR N . 53524 1 401 . 1 . 1 156 156 LYS CA C 13 56.2510 0.0000 . 1 . . . . . 156 LYS CA . 53524 1 402 . 1 . 1 156 156 LYS CB C 13 33.4290 0.0000 . 1 . . . . . 156 LYS CB . 53524 1 403 . 1 . 1 157 157 ALA H H 1 8.3030 0.0000 . 1 . . . . . 157 ALA H . 53524 1 404 . 1 . 1 157 157 ALA CA C 13 52.5700 0.0000 . 1 . . . . . 157 ALA CA . 53524 1 405 . 1 . 1 157 157 ALA CB C 13 19.3350 0.0000 . 1 . . . . . 157 ALA CB . 53524 1 406 . 1 . 1 157 157 ALA N N 15 125.9380 0.0000 . 1 . . . . . 157 ALA N . 53524 1 407 . 1 . 1 158 158 ILE H H 1 8.1390 0.0000 . 1 . . . . . 158 ILE H . 53524 1 408 . 1 . 1 158 158 ILE CA C 13 61.1950 0.0000 . 1 . . . . . 158 ILE CA . 53524 1 409 . 1 . 1 158 158 ILE CB C 13 39.1080 0.0000 . 1 . . . . . 158 ILE CB . 53524 1 410 . 1 . 1 158 158 ILE N N 15 120.4170 0.0000 . 1 . . . . . 158 ILE N . 53524 1 411 . 1 . 1 161 161 PRO CA C 13 63.2980 0.0000 . 1 . . . . . 161 PRO CA . 53524 1 412 . 1 . 1 161 161 PRO CB C 13 32.4820 0.0000 . 1 . . . . . 161 PRO CB . 53524 1 413 . 1 . 1 162 162 THR H H 1 8.2650 0.0000 . 1 . . . . . 162 THR H . 53524 1 414 . 1 . 1 162 162 THR CA C 13 62.0360 0.0000 . 1 . . . . . 162 THR CA . 53524 1 415 . 1 . 1 162 162 THR CB C 13 69.8190 0.0000 . 1 . . . . . 162 THR CB . 53524 1 416 . 1 . 1 162 162 THR N N 15 115.2650 0.0000 . 1 . . . . . 162 THR N . 53524 1 417 . 1 . 1 163 163 VAL H H 1 7.7090 0.0000 . 1 . . . . . 163 VAL H . 53524 1 418 . 1 . 1 163 163 VAL CA C 13 63.7190 0.0000 . 1 . . . . . 163 VAL CA . 53524 1 419 . 1 . 1 163 163 VAL CB C 13 33.4290 0.0000 . 1 . . . . . 163 VAL CB . 53524 1 420 . 1 . 1 163 163 VAL N N 15 126.4400 0.0000 . 1 . . . . . 163 VAL N . 53524 1 421 . 1 . 1 166 166 LEU CA C 13 56.4620 0.0000 . 1 . . . . . 166 LEU CA . 53524 1 422 . 1 . 1 166 166 LEU CB C 13 41.2120 0.0000 . 1 . . . . . 166 LEU CB . 53524 1 423 . 1 . 1 167 167 THR H H 1 8.2020 0.0000 . 1 . . . . . 167 THR H . 53524 1 424 . 1 . 1 167 167 THR CA C 13 62.0360 0.0000 . 1 . . . . . 167 THR CA . 53524 1 425 . 1 . 1 167 167 THR CB C 13 69.5030 0.0000 . 1 . . . . . 167 THR CB . 53524 1 426 . 1 . 1 167 167 THR N N 15 114.5160 0.0000 . 1 . . . . . 167 THR N . 53524 1 427 . 1 . 1 172 172 PHE H H 1 8.2810 0.0000 . 1 . . . . . 172 PHE H . 53524 1 428 . 1 . 1 172 172 PHE CA C 13 57.8290 0.0000 . 1 . . . . . 172 PHE CA . 53524 1 429 . 1 . 1 172 172 PHE CB C 13 39.6340 0.0000 . 1 . . . . . 172 PHE CB . 53524 1 430 . 1 . 1 172 172 PHE N N 15 122.0560 0.0000 . 1 . . . . . 172 PHE N . 53524 1 431 . 1 . 1 173 173 THR H H 1 8.0800 0.0000 . 1 . . . . . 173 THR H . 53524 1 432 . 1 . 1 173 173 THR CA C 13 61.5100 0.0000 . 1 . . . . . 173 THR CA . 53524 1 433 . 1 . 1 173 173 THR CB C 13 69.9240 0.0000 . 1 . . . . . 173 THR CB . 53524 1 434 . 1 . 1 173 173 THR N N 15 116.0900 0.0000 . 1 . . . . . 173 THR N . 53524 1 435 . 1 . 1 174 174 GLY H H 1 7.2040 0.0000 . 1 . . . . . 174 GLY H . 53524 1 436 . 1 . 1 174 174 GLY CA C 13 46.2600 0.0000 . 1 . . . . . 174 GLY CA . 53524 1 437 . 1 . 1 174 174 GLY N N 15 116.5970 0.0000 . 1 . . . . . 174 GLY N . 53524 1 stop_ save_